Information card for entry 7043532

Structure parameters

• Formula: C62 H63 Cl N O4 P Pd
• Calculated formula: C62 H63 Cl N O4 P Pd
• Title of publication: Calix[4]arene-fused phospholes
• Authors of publication: Elaieb, Fethi; Sémeril, David; Matt, Dominique; Pfeffer, Michel; Bouit, Pierre-Antoine; Hissler, Muriel; Gourlaouen, Christophe; Harrowfield, Jack
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.8908 ± 0.0007 Å
• b: 19.6964 ± 0.0014 Å
• c: 27.456 ± 0.002 Å
• α: 94.474 ± 0.002°
• β: 90.746 ± 0.002°
• γ: 91.791 ± 0.002°
• Cell volume: 5329.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No